BAS 00792597
TL;DR: BAS 00792597 (CAS 305336-70-3) is a chemical compound with molecular formula C24H27N3O2S and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: BAS 00792597, 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone, 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone, 2-{5-[4-(tert-butyl)phenyl]-4-prop-2-enyl(1,2,4-triazol-3-ylthio)}-1-(4-methox yphenyl)ethan-1-one
| Molecular Formula | C24H27N3O2S |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 5.4122 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.1824 |
| Heavy Atoms | 30 |
| Complexity | 1016.09973 |
Chemical Identifiers
| CAS Number | 305336-70-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)OC |
Product Overview
BAS 00792597 (CAS 305336-70-3), with molecular formula C24H27N3O2S and molecular weight 421.18 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of BAS 00792597
Property Insights of BAS 00792597
The XLogP value of 5.4122 indicates that BAS 00792597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, BAS 00792597 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00792597 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00792597?
The CAS number of BAS 00792597 is 305336-70-3.
What is the molecular formula of BAS 00792597?
The molecular formula of BAS 00792597 is C24H27N3O2S.
What is the molecular weight of BAS 00792597?
The molecular weight of BAS 00792597 is 421.18 g/mol.
Where can I buy BAS 00792597?
You can request a quote for BAS 00792597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00792597?
Yes, KEHONG BIO provides custom synthesis services for BAS 00792597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.